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828282-57-1 | Octane, 2,7-difluoro-2,7-dimethyl-
CAS No: 828282-57-1 Catalog No: AG004SO7 MDL No:
Product Description
Catalog Number:
AG004SO7
Chemical Name:
Octane, 2,7-difluoro-2,7-dimethyl-
CAS Number:
828282-57-1
Molecular Formula:
C10H20F2
Molecular Weight:
178.2626
IUPAC Name:
2,7-difluoro-2,7-dimethyloctane
InChI:
InChI=1S/C10H20F2/c1-9(2,11)7-5-6-8-10(3,4)12/h5-8H2,1-4H3
InChI Key:
HISJCEVQZLDMMY-UHFFFAOYSA-N
SMILES:
CC(CCCCC(F)(C)C)(F)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.153g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.267g/mol
Monoisotopic Mass:
178.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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